Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.32 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11119131 | 0.84 | ALDH1A1 (0.69) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| Pivalate SCHEMBL11433335 | 0.84 | TP53 (0.69) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL405938 | 0.82 | TP53 (0.61) | ALDH1A1TSHRTP53MAPTSLC7A5 | |
| SCHEMBL2774033 | 0.82 | TP53 (0.61) | ALDH1A1TSHRTP53MAPTSLC7A5 | |
| SCHEMBL5940223 | 0.82 | TP53 (0.61) | ALDH1A1TSHRTP53MAPTSLC7A5 | |
| Pivalate SCHEMBL5116637 | 0.82 | TSHR (0.61) | ALDH1A1TSHRTP53MAPTPTGS1 | |
| SCHEMBL2531259 | 0.82 | TP53 (0.61) | ALDH1A1TSHRTP53MAPTSLC7A5 | |
| SCHEMBL10857351 | 0.82 | — | — | |
| SCHEMBL4640114 | 0.82 | TP53 (0.61) | ALDH1A1TSHRTP53MAPTSLC7A5 | |
| Pivalate SCHEMBL332912 | 0.82 | TSHR (0.61) | ALDH1A1TSHRTP53MAPTPTGS1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2413692-A2 | COMPOSITIONS OF VOLATILE ORGANIC COMPOUNDS AND METHODS OF USE THEREOF | Synthetic Genomics, Inc. (US) | 2012-02-08 | — | — | EP | disclosed |
| US-6087357-A | Piperazine derivatives as tachykinin antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-07-11 | — | — | US | disclosed |